2-(3-Fluorophenoxy)ethylamine

Base Information

• Chemical Name: 2-(3-Fluorophenoxy)ethylamine
• CAS No.: 120351-93-1
• Molecular Formula: C8H10 F N O
• Molecular Weight: 155.172
• Hs Code.: 2922299090
• European Community (EC) Number: 681-160-4
• DSSTox Substance ID: DTXSID50557913
• Wikidata: Q82439977
• Mol file: 120351-93-1.mol

Synonyms:2-(3-fluorophenoxy)ethylamine;120351-93-1;2-(3-fluorophenoxy)ethanamine;2-(3-Fluoro-phenoxy)-ethylamine;2-(3-Fluorophenoxy)ethan-1-amine;MFCD06247658;Ethanamine, 2-(3-fluorophenoxy)- (9CI);Ethanamine, 2-(3-fluorophenoxy)-;SCHEMBL1239738;DTXSID50557913;UTSSEDORJLCBMS-UHFFFAOYSA-N;AKOS000138065;AM91102;SB75909;AS-31280;SY008271;2-(3-Fluorophenoxy)ethylamine, AldrichCPR;CS-0127974;[2-(3-fluorophenoxy)ethyl]amine hydrochloride;EN300-53863;AB00995187-01

Chemical Property of 2-(3-Fluorophenoxy)ethylamine

Chemical Property:

• Vapor Pressure: 0.11mmHg at 25°C
• Refractive Index: 1.508
• Boiling Point: 220.9°Cat760mmHg
• Flash Point: 87.4°C
• PSA: 35.25000
• Density: 1.125g/cm³
• LogP: 1.86350
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• Sensitive.: Hygroscopic
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 155.074642105
• Heavy Atom Count: 11
• Complexity: 110

Purity/Quality:

97% ^*data from raw suppliers

2-(3-Fluorophenoxy)ethylamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)F)OCCN
• Uses: 2-(3-Fluorophenoxy)ethylamine acts as a reagent in the synthesis of neuronal nitric oxide synthase inhibitors with improved cellular permeability. Dimethyltetrahydropyrazino purinediones preparation as adenosine receptor antagonists.

Technology Process of 2-(3-Fluorophenoxy)ethylamine

There total 3 articles about 2-(3-Fluorophenoxy)ethylamine which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

2-(2-(3-fluorophenoxy)ethyl)isoindoline-1,3-dione → 2-(3-fluorophenoxy)ethanamine (120351-93-1)

Guidance literature:

With hydrazine hydrate; In ethanol; at 50 ℃; for 4h;

DOI:10.1021/acsmedchemlett.8b00177

Reference yield:

1-(2-bromoethoxy)-3-fluorobenzene (85262-57-3) → 2-(3-fluorophenoxy)ethanamine (120351-93-1)

Guidance literature:

1-(2-bromoethoxy)-3-fluorobenzene; With 18-crown-6 ether; potassium phtalimide; In N,N-dimethyl-formamide; at 50 ℃; for 3h;

With methylamine; In water; at 50 ℃; for 2h;

With sodium hydroxide; In water; at 20 ℃; for 1h;

DOI:10.1021/acs.jmedchem.0c00814

Reference yield:

3-fluorophenol (372-20-3) → 2-(3-fluorophenoxy)ethanamine (120351-93-1)

Guidance literature:

Multi-step reaction with 2 steps

1: diethylazodicarboxylate; triphenylphosphine / tetrahydrofuran / 0 - 20 °C

2: hydrazine hydrate / ethanol / 4 h / 50 °C

With hydrazine hydrate; triphenylphosphine; diethylazodicarboxylate; In tetrahydrofuran; ethanol;

DOI:10.1021/acsmedchemlett.8b00177

upstream raw materials:

3-fluorophenol

1-(2-bromoethoxy)-3-fluorobenzene

Downstream raw materials:

5-[2-(3-Fluoro-phenoxy)-ethylamino]-2-isopropyl-2-(3,4,5-trimethoxy-phenyl)-pentanenitrile

2-Bromo-N-[2-(3-fluoro-phenoxy)-ethyl]acetamide